2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C107H205N23 — CID 59655649

About 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59655649) has the molecular formula C107H205N23 and a molecular weight of 1813.98 g/mol. Its IUPAC name is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 59655649
• Molecular Formula: C107H205N23
• Molecular Weight: 1813.98 g/mol
• Exact Mass: 1812.67
• IUPAC Name: 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(C)C(C)(C)C3)C3CC(C)(C)N(C)C(C)(C)C3)n2)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1
• InChI: InChI=1S/C107H205N23/c1-35-44-61-122(62-45-36-2)89-108-90(123(63-46-37-3)64-47-38-4)111-93(110-89)127(85-76-100(14,15)118(31)101(16,17)77-85)70-57-53-55-59-72-129(87-80-104(22,23)120(33)105(24,25)81-87)96-114-95(126(69-52-43-9)84-74-98(10,11)117(30)99(12,13)75-84)115-97(116-96)130(88-82-106(26,27)121(34)107(28,29)83-88)73-60-56-54-58-71-128(86-78-102(18,19)119(32)103(20,21)79-86)94-112-91(124(65-48-39-5)66-49-40-6)109-92(113-94)125(67-50-41-7)68-51-42-8/h84-88H,35-83H2,1-34H3
• InChIKey: YXOVJAVHQUSEMW-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 161.37 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 55
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.98
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 59655649) is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)N(C)C(C)(C)C3)C3CC(C)(C)N(C)C(C)(C)C3)n2)C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1.

What is the InChIKey of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is YXOVJAVHQUSEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H205N23/c1-35-44-61-122(62-45-36-2)89-108-90(123(63-46-37-3)64-47-38-4)111-93(110-89)127(85-76-100(14,15)118(31)101(16,17)77-85)70-57-53-55-59-72-129(87-80-104(22,23)120(33)105(24,25)81-87)96-114-95(126(69-52-43-9)84-74-98(10,11)117(30)99(12,13)75-84)115-97(116-96)130(88-82-106(26,27)121(34)107(28,29)83-88)73-60-56-54-58-71-128(86-78-102(18,19)119(32)103(20,21)79-86)94-112-91(124(65-48-39-5)66-49-40-6)109-92(113-94)125(67-50-41-7)68-51-42-8/h84-88H,35-83H2,1-34H3.

What are the key properties of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1813.98 g/mol, XLogP of 23.48, 55 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59655649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).